General Information of the Compound
| Compound ID |
CP0738916
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-3-(2-Ethyl-4-oxo-3-phenethyl-3,4-dihydro-quinazolin-7-yl)-N-hydroxy-acrylamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H21N3O3
|
||||||||||||||||||
| Molecular Weight |
363.417
|
||||||||||||||||||
| Canonical SMILES |
CCc1nc2cc(/C=C/C(=O)NO)ccc2c(=O)n1CCc1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H21N3O3/c1-2-19-22-18-14-16(9-11-20(25)23-27)8-10-17(18)21(26)24(19)13-12-15-6-4-3-5-7-15/h3-11,14,27H,2,12-13H2,1H3,(H,23,25)/b11-9+
Show/Hide
|
||||||||||||||||||
| InChIKey |
AULBTEVAVDTQLP-PKNBQFBNSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00991, Histone deacetylase 1
Protein ID: PT02410, Histone deacetylase 11
Protein ID: PT00835, Histone deacetylase 2
Protein ID: PT01213, Histone deacetylase 6
Protein ID: PT01499, Histone deacetylase 8